SCHEMBL9832627

SCHEMBL9832627

CCOC(=O)C1(CC)C(=O)Nc2cc([N+](=O)[O-])c(N)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADCY8 P40145 1/20 0.39
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.35
POLB P06746 2/20 0.35
MPI P34949 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GALR2 O43603 1/20 0.33
MITF O75030 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9832713 0.95 MAPT (0.42) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL9831884 0.85 ADCY8 (0.44) MAPTCYP1A2CYP2C9CYP2C19ADCY8
SCHEMBL9833892 0.85 MAPT (0.40) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL9831103 0.81 MAPT (0.43) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL9831783 0.77 MAPT (0.39) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL9829837 0.76 TDP1 (0.40) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL9832723 0.74 MAPT (0.40) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL9833427 0.74 TDP1 (0.39) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL2487418 0.72 TDP1 (0.49) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL9833442 0.72 CYP1A2 (0.41) MAPTCYP1A2CYP2C9CYP2C19MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161632-B1 PYRROLO-BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND INTERMEDIATES Roche Diagnostics GmbH (DE) 1991-04-10 EP disclosed
US-4963686-A INTERMEDIATES FOR INOTROPIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1990-10-16 US disclosed
CN-85103724-B Process for preparing pyrrolobenzimidazoles 曼海姆伯灵格股份公司 1988-07-06 CN disclosed
CN-85103724-A The method for preparing novel pyrrolo-benzoglyoxaline 1986-07-02 CN disclosed